N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide

C17H20FNO2 — CID 124872719

IUPACN-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O
InChIInChI=1S/C17H20FNO2/c1-2-4-16(21)19-12-17(10-3-5-15(17)20)11-13-6-8-14(18)9-7-13/h6-9,15,20H,3,5,10-12H2,1H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyYXWVBVGXDSEJMQ-DOTOQJQBSA-N
MW289.35 g/mol
LogP2.04
Rot. Bonds4

About N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide

N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide (PubChem CID 124872719) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide
PubChem CID124872719
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O
InChIInChI=1S/C17H20FNO2/c1-2-4-16(21)19-12-17(10-3-5-15(17)20)11-13-6-8-14(18)9-7-13/h6-9,15,20H,3,5,10-12H2,1H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyYXWVBVGXDSEJMQ-DOTOQJQBSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide
CID 124721449
N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
CID 125138903
1-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011844
N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide
CID 100635936
4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid
CID 122033506
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 124738221
4-[[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]methyl]benzoic acid
CID 122033505
ethyl N-[(2S)-1-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 124860541
(3R)-1-(cyclopropanecarbonyl)-N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]piperidine-3-carboxamide
CID 100636090
1-(2-fluorophenyl)-N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]pyrazole-4-carboxamide
CID 100636068
6-bromo-2-fluoro-N-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-methoxybenzenesulfonamide
CID 166387221
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 100635862

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide?
The IUPAC name of N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide (CID 124872719) is N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide.
What is the SMILES notation for N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide?
The canonical SMILES for N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide is CC#CC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O.
What is the InChIKey of N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide?
The InChIKey is YXWVBVGXDSEJMQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-4-16(21)19-12-17(10-3-5-15(17)20)11-13-6-8-14(18)9-7-13/h6-9,15,20H,3,5,10-12H2,1H3,(H,19,21)/t15-,17+/m0/s1.
What are the key properties of N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide?
N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide has a molecular weight of 289.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide is sourced from PubChem (CID 124872719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).